4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one

C16H22N4O4 — CID 122261546

IUPAC4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCOc1nccc(OC2CCCN(C(=O)C3CC(=O)N(C)C3)C2)n1
InChIInChI=1S/C16H22N4O4/c1-19-9-11(8-14(19)21)15(22)20-7-3-4-12(10-20)24-13-5-6-17-16(18-13)23-2/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyCCNZWIVKGGWVKI-UHFFFAOYSA-N
MW334.38 g/mol
LogP0.33
Rot. Bonds4

About 4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one

4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one (PubChem CID 122261546) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one
PubChem CID122261546
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCOc1nccc(OC2CCCN(C(=O)C3CC(=O)N(C)C3)C2)n1
InChIInChI=1S/C16H22N4O4/c1-19-9-11(8-14(19)21)15(22)20-7-3-4-12(10-20)24-13-5-6-17-16(18-13)23-2/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyCCNZWIVKGGWVKI-UHFFFAOYSA-N
XLogP0.33
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(3-methoxypyrazin-2-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 91628163
N-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261562
1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 122261229
2-chloro-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one
CID 122261251
(4-bromophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261283
3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide
CID 122261563
(4R)-4-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 100659423
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone
CID 122261254
2-cyclopentylsulfanyl-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122261170
(3,4-dimethylphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261258
[4-(dimethylamino)phenyl]-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261412
N-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261595

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one (CID 122261546) is 4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one is COc1nccc(OC2CCCN(C(=O)C3CC(=O)N(C)C3)C2)n1.
What is the InChIKey of 4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The InChIKey is CCNZWIVKGGWVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-19-9-11(8-14(19)21)15(22)20-7-3-4-12(10-20)24-13-5-6-17-16(18-13)23-2/h5-6,11-12H,3-4,7-10H2,1-2H3.
What are the key properties of 4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one has a molecular weight of 334.38 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 122261546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).